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CAS 33930-63-1 4-bromo-2-methyl-isoquinolin-1-one molecular structure lightbox
CAS RN: 33930-63-1

4-bromo-2-methyl-isoquinolin-1-one

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251025 10g In stock Shanghai Inquiry
Batchno.20251210 1g In stock Shanghai Inquiry
Batchno.20250714 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260701 25g Out of stock Inquiry
Batchno.20250925 5g In stock Shanghai Inquiry
  • Product code: SSC-140135
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 33930-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

33930-63-1 / 4-bromo-2-methylisoquinolin-1-one

Standard CAS: 33930-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33930-63-1
Multi CAS
No
Molecular Formula
C10H8BrNO
Molecular Weight
238.080000
Exact Mass
236.978930
SMILES
CN1C=C(C2=CC=CC=C2C1=O)Br
InChI
InChI=1S/C10H8BrNO/c1-12-6-9(11)7-4-2-3-5-8(7)10(12)13/h2-6H,1H3
InChIKey
YCYRWLPOFCNZPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
56.89
TPSA
22

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
1.9
Consensus LogP
2.08
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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